The Infona portal uses cookies, i.e. strings of text saved by a browser on the user's device. The portal can access those files and use them to remember the user's data, such as their chosen settings (screen view, interface language, etc.), or their login data. By using the Infona portal the user accepts automatic saving and using this information for portal operation purposes. More information on the subject can be found in the Privacy Policy and Terms of Service. By closing this window the user confirms that they have read the information on cookie usage, and they accept the privacy policy and the way cookies are used by the portal. You can change the cookie settings in your browser.
Density functional theory (DFT) methods with B3LYP/6‐311++g(d,p) level of theory were employed to study two poly‐nitrogen salts N5+N3− and N5+N5−. The optimized geometries and thermochemical parameters, frontier molecular orbitals, molecular electrostatic potential, and predicted infrared (IR) spectra were calculated for inspecting the molecular stabilities, electronic structures, and chemical reactivity...
Set the date range to filter the displayed results. You can set a starting date, ending date or both. You can enter the dates manually or choose them from the calendar.